2-[4-(1-butanimidoylpyrrolidin-3-yl)oxyphenyl]-3-(7-carbamimidoylnaphthalen-2-yl)propanoic acid

Systemtic Name: 2-[4-(1-butanimidoylpyrrolidin-3-yl)oxyphenyl]-3-(7-carbamimidoylnaphthalen-2-yl)propanoic acid Openeye Name: 2-[4-(1-butanimidoylpyrrolidin-3-yl)oxyphenyl]-3-(7-carbamimidoyl-2-naphthyl)propanoic acid CAS Name: 3-(7-carbamimidoyl-2-naphthalenyl)-2-[4-[[1-(1-iminobutyl)-3-pyrrolidinyl]oxy]phenyl]propanoic acid IUPAC Name: 2-[4-(1-butanimidoylpyrrolidin-3-yl)oxyphenyl]-3-(7-carbamimidoylnaphthalen-2-yl)propanoic acid Traditional Name: 3-(7-amidino-2-naphthyl)-2-[4-(1-butanimidoylpyrrolidin-3-yl)oxyphenyl]propionic acid Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=N)N1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

CCCC(=N)N1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C28H32N4O3/c1-2-3-26(29)32-13-12-24(17-32)35-23-10-8-20(9-11-23)25(28(33)34)15-18-4-5-19-6-7-21(27(30)31)16-22(19)14-18/h4-11,14,16,24-25,29H,2-3,12-13,15,17H2,1H3,(H3,30,31)(H,33,34)